Ro 19-3704
TL;DR: Ro 19-3704 (CAS 106556-34-7) is a chemical compound with molecular formula C31H57IN2O6S and molecular weight 712.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl [(2R)-1-(octadecylcarbamoyloxy)-3-[4-(1,3-thiazol-3-ium-3-yl)butoxy]propan-2-yl] carbonate iodide
Also Known As: Ro 193704, Ro 19-3704, Ro-19-3704, 3-(4-(2-((Methoxycarbonyl)oxy)-3-((octadecylcarbamoyl)oxy)propoxy)butyl)thiazolium, 3-4(R)-2-(Methoxycarbonyl)oxy-3-(octadecylcarbamoyl)oxypropoxybutyl thiazolium iodide
| Molecular Formula | C31H57IN2O6S |
|---|---|
| Molecular Weight | 712.30 g/mol |
| LogP | 4.9757 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 30 |
| Exact Mass | 712.2982 |
| Heavy Atoms | 41 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 106556-34-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@@H](COCCCC[N+]1=CSC=C1)OC(=O)OC.[I-] |
| InChIKey | GSTGDOUYFDTTBP-XXIQNXCHSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ro 19-3704 (CAS 106556-34-7), with molecular formula C31H57IN2O6S and molecular weight 712.30 g/mol. IUPAC: methyl [(2R)-1-(octadecylcarbamoyloxy)-3-[4-(1,3-thiazol-3-ium-3-yl)butoxy]propan-2-yl] carbonate iodide.
Chemical Property Profile of Ro 19-3704
Property Insights of Ro 19-3704
The XLogP value of 4.9757 indicates that Ro 19-3704 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ro 19-3704. Following Lipinski's Rule of Five, Ro 19-3704 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ro 19-3704?
The CAS number of Ro 19-3704 is 106556-34-7.
What is the molecular formula of Ro 19-3704?
The molecular formula of Ro 19-3704 is C31H57IN2O6S.
What is the molecular weight of Ro 19-3704?
The molecular weight of Ro 19-3704 is 712.30 g/mol.
Where can I buy Ro 19-3704?
You can request a quote for Ro 19-3704 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 19-3704?
Yes, KEHONG BIO provides custom synthesis services for Ro 19-3704 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.